31 lines
884 B
Fortran
31 lines
884 B
Fortran
C-----------------------------------------------------------------------
|
|
C Space group routine setup of the r-matrix
|
|
C-----------------------------------------------------------------------
|
|
SUBROUTINE SGRMAT (RT,A,B,C,D,E,F,G,H,O)
|
|
INTEGER A,B,C,D,E,F,G,H,O
|
|
DIMENSION RT(5,4)
|
|
RT(1,1) = A
|
|
RT(1,2) = B
|
|
RT(1,3) = C
|
|
RT(1,4) = 0.0
|
|
RT(2,1) = D
|
|
RT(2,2) = E
|
|
RT(2,3) = F
|
|
RT(2,4) = 0.0
|
|
RT(3,1) = G
|
|
RT(3,2) = H
|
|
RT(3,3) = O
|
|
RT(3,4) = 0.0
|
|
RT(4,1) = 0.0
|
|
RT(4,2) = 0.0
|
|
RT(4,3) = 0.0
|
|
RT(4,4) = 1.0
|
|
RT(5,1) = 81*(2*RT(1,1) + 3*RT(1,2) + 4*RT(1,3)) +
|
|
$ 9*(2*RT(2,1) + 3*RT(2,2) + 4*RT(2,3)) +
|
|
$ 2*RT(3,1) + 3*RT(3,2) + 4*RT(3,3)
|
|
RT(5,2) = 1728*RT(1,4) + 144*RT(2,4) + 12*RT(3,4)
|
|
RT(5,3) = 10.0
|
|
RT(5,4) = 20.
|
|
RETURN
|
|
END
|